Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.3169   -0.0181    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141   -0.6274    0.5774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0609    0.0280    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254    1.1104   -0.4593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3691   -0.4801    0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830    0.1414    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1944    1.0672    0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196   -0.2746   -0.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1939   -0.3878    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3959   -1.3900    1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4522   -0.2233    0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524    1.0543   -0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers